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Product No: EB2044

(8S,10S)-10-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride(Doxorubicin HCl), 99+%

Name: (8S,10S)-10-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride(Doxorubicin HCl)
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

25316-40-9

Molecular Weight

579.98

Formula

C27H30ClNO11

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IUPAC name	(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
inchi	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1
inchi key	MWWSFMDVAYGXBV-RUELKSSGSA-N
molecular formula	C27H29NO11.ClH
synonyms	Doxorubicin Hydrochloride 25316-40-9 Doxorubicin HCl Adriacin Rubex
Compound Description	Doxorubicin Hydrochloride can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity and male reproductive toxicity according to state or federal government labeling requirements. Adriamycin hydrochloride appears as orange-red thin needles. Aqueous solutions yellow-orange at acid pHs, orange-red at neutral pHs, and violet blue over pH 9. Doxorubicin hydrochloride is an anthracycline. Doxorubicin hydrochloride is an antineoplastic prescription medicine approved by the U.S. Food and Drug Administration for the treatment of certain types of cancer, including ovarian cancer, multiple myeloma, and AIDS-related Kaposi sarcoma. Kaposi sarcoma is caused by infection with human herpesvirus-8 . HHV-8 infection can be an opportunistic infection of HIV. Doxorubicin Hydrochloride is the hydrochloride salt of doxorubicin, an anthracycline antibiotic with antineoplastic activity. Doxorubicin, isolated from the bacterium Streptomyces peucetius var. caesius, is the hydroxylated congener of daunorubicin. Doxorubicin intercalates between base pairs in the DNA helix, thereby preventing DNA replication and ultimately inhibiting protein synthesis. Additionally, doxorubicin inhibits topoisomerase II which results in an increased and stabilized cleavable enzyme-DNA linked complex during DNA replication and subsequently prevents the ligation of the nucleotide strand after double-strand breakage. Doxorubicin also forms oxygen free radicals resulting in cytotoxicity secondary to lipid peroxidation of cell membrane lipids; the formation of oxygen free radicals also contributes to the toxicity of the anthracycline antibiotics, namely the cardiac and cutaneous vascular effects. DOXORUBICIN HYDROCHLORIDE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1974 and has 22 approved and 81 investigational indications. This drug has a black box warning from the FDA. Antineoplastic antibiotic obtained from Streptomyces peucetius. It is a hydroxy derivative of DAUNORUBICIN. See also: Doxorubicin .

Computed Properties

Molecular Weight:	580.0 g/mol
Hydrogen Bond Donor Count:	7
Hydrogen Bond Acceptor Count:	12
Rotatable Bond Count:	5
Exact Mass:	579.1507385 g/mol
Monoisotopic Mass:	579.1507385 g/mol
Topological Polar Surface Area:	206 Å²
Heavy Atom Count:	40
Formal Charge:	0
Complexity:	977
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	6
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (77.7%) Skin Irrit. 2 (27.4%) Eye Irrit. 2A (36.3%) Muta. 1B (35.7%) Carc. 1B (93.6%) Repr. 1B (32.5%)
precautionary statement codes	P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501
hazard statements	H302 (77.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (27.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (36.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H340 (35.7%): May cause genetic defects [Danger Germ cell mutagenicity] H350 (93.6%): May cause cancer [Danger Carcinogenicity] H360 (32.5%): May damage fertility or the unborn child [Danger Reproductive toxicity]

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Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
inchi	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1
inchi key	MWWSFMDVAYGXBV-RUELKSSGSA-N
molecular formula	C27H29NO11.ClH
synonyms	Doxorubicin Hydrochloride 25316-40-9 Doxorubicin HCl Adriacin Rubex
Compound Description	Doxorubicin Hydrochloride can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity and male reproductive toxicity according to state or federal government labeling requirements. Adriamycin hydrochloride appears as orange-red thin needles. Aqueous solutions yellow-orange at acid pHs, orange-red at neutral pHs, and violet blue over pH 9. Doxorubicin hydrochloride is an anthracycline. Doxorubicin hydrochloride is an antineoplastic prescription medicine approved by the U.S. Food and Drug Administration for the treatment of certain types of cancer, including ovarian cancer, multiple myeloma, and AIDS-related Kaposi sarcoma. Kaposi sarcoma is caused by infection with human herpesvirus-8 . HHV-8 infection can be an opportunistic infection of HIV. Doxorubicin Hydrochloride is the hydrochloride salt of doxorubicin, an anthracycline antibiotic with antineoplastic activity. Doxorubicin, isolated from the bacterium Streptomyces peucetius var. caesius, is the hydroxylated congener of daunorubicin. Doxorubicin intercalates between base pairs in the DNA helix, thereby preventing DNA replication and ultimately inhibiting protein synthesis. Additionally, doxorubicin inhibits topoisomerase II which results in an increased and stabilized cleavable enzyme-DNA linked complex during DNA replication and subsequently prevents the ligation of the nucleotide strand after double-strand breakage. Doxorubicin also forms oxygen free radicals resulting in cytotoxicity secondary to lipid peroxidation of cell membrane lipids; the formation of oxygen free radicals also contributes to the toxicity of the anthracycline antibiotics, namely the cardiac and cutaneous vascular effects. DOXORUBICIN HYDROCHLORIDE is a small molecule drug with a maximum clinical trial phase of IV that was first approved in 1974 and has 22 approved and 81 investigational indications. This drug has a black box warning from the FDA. Antineoplastic antibiotic obtained from Streptomyces peucetius. It is a hydroxy derivative of DAUNORUBICIN. See also: Doxorubicin .

Computed Properties

Molecular Weight:	580.0 g/mol
Hydrogen Bond Donor Count:	7
Hydrogen Bond Acceptor Count:	12
Rotatable Bond Count:	5
Exact Mass:	579.1507385 g/mol
Monoisotopic Mass:	579.1507385 g/mol
Topological Polar Surface Area:	206 Å²
Heavy Atom Count:	40
Formal Charge:	0
Complexity:	977
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	6
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (77.7%) Skin Irrit. 2 (27.4%) Eye Irrit. 2A (36.3%) Muta. 1B (35.7%) Carc. 1B (93.6%) Repr. 1B (32.5%)
precautionary statement codes	P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501
hazard statements	H302 (77.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (27.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (36.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H340 (35.7%): May cause genetic defects [Danger Germ cell mutagenicity] H350 (93.6%): May cause cancer [Danger Carcinogenicity] H360 (32.5%): May damage fertility or the unborn child [Danger Reproductive toxicity]

Product No: EB2044

(8S,10S)-10-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride(Doxorubicin HCl), 99+%

Product No: EB2044

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: EB2044

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?